(phenylmethyl) (3S,6S)-3-acetyloxy-6-[2-(3-bromanyl-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: (phenylmethyl) (3S,6S)-3-acetyloxy-6-[2-(3-bromanyl-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: benzyl (3S,6S)-3-acetoxy-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: (3S,6S)-3-acetyloxy-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxoethyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,6S)-3-acetyloxy-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxoethyl]-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: (3S,6S)-3-acetoxy-6-[2-(3-bromo-5-carbomethoxy-1H-pyrrol-2-yl)-2-keto-ethyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid benzyl ester Formula: C23H23BrN2O7 MolecularWeight: 519.34192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CN(C(C=C1)CC(=O)C2=C(C=C(N2)C(=O)OC)Br)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@@H]1CN([C@H](C=C1)CC(=O)C2=C(C=C(N2)C(=O)OC)Br)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H23BrN2O7/c1-14(27)33-17-9-8-16(10-20(28)21-18(24)11-19(25-21)22(29)31-2)26(12-17)23(30)32-13-15-6-4-3-5-7-15/h3-9,11,16-17,25H,10,12-13H2,1-2H3/t16-,17+/m1/s1